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7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
Descriptor: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFZ
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BU of 7pfz by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
Descriptor: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
5LDN
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BU of 5ldn by Molmil
A viral capsid:antibody complex
Descriptor: Hexon protein,hexon capsid, antibody
Authors:James, L.
Deposit date:2016-06-27
Release date:2017-07-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antibody-antigen kinetics constrain intracellular humoral immunity.
Sci Rep, 6, 2016
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
Descriptor: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Martin, M.P, Noble, M.E.M.
Deposit date:2016-08-19
Release date:2017-08-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
Descriptor: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2016-08-17
Release date:2016-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
5LSP
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BU of 5lsp by Molmil
107_A07 Fab in complex with fragment of the Met receptor
Descriptor: 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J.
Deposit date:2016-09-05
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain.
Sci Rep, 7, 2017
5NMV
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BU of 5nmv by Molmil
Crystal structure of 2F22 Fab fragment against TFPI1
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Svensson, L.A, Petersen, H.H.
Deposit date:2017-04-07
Release date:2018-03-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Factor Xa and VIIa inhibition by tissue factor pathway inhibitor is prevented by a monoclonal antibody to its Kunitz-1 domain.
J. Thromb. Haemost., 16, 2018
7T2Q
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BU of 7t2q by Molmil
PEGylated Calmodulin-1 (K148U)
Descriptor: CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ...
Authors:Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine.
Nat Commun, 13, 2022
5OBA
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BU of 5oba by Molmil
Structure of a modified mouse H-chain ferritin with a lanthanide binding motif
Descriptor: FE (III) ION, Ferritin heavy chain
Authors:Baiocco, P, Trabuco, M.C.
Deposit date:2017-06-26
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Engineered ferritin for lanthanide binding.
PLoS ONE, 13, 2018
7SMH
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BU of 7smh by Molmil
Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G
Authors:Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-25
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
5NO5
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BU of 5no5 by Molmil
AbyA5 Wildtype
Descriptor: AbyA5
Authors:Byrne, M.J, Race, P.R.
Deposit date:2017-04-10
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
5O17
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BU of 5o17 by Molmil
Crystal structure of murine neuroglobin under 100 bar krypton
Descriptor: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T, Vallone, B, Carpentier, P.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
Descriptor: De novo designed proton channel LLQL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
Descriptor: De novo designed pentameric proton channel QQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDZ
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BU of 7udz by Molmil
Designed pentameric proton channel LQLL
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
Authors:Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDY
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BU of 7udy by Molmil
Designed pentameric channel QLLL
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDX
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BU of 7udx by Molmil
Designed pentameric proton channel QLQL
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL
Authors:Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2022-03-20
Release date:2022-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
Descriptor: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
Authors:Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
Deposit date:2022-04-15
Release date:2022-05-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
5NVI
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BU of 5nvi by Molmil
Crystal structure of murine neuroglobin under 50 bar argon pressure
Descriptor: ARGON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-04
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5O18
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BU of 5o18 by Molmil
Crystal structure of murine neuroglobin mutant V140W
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
7UMG
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BU of 7umg by Molmil
Crystal structure of human CD8aa-MR1-Ac-6-FP complex
Descriptor: Beta-2-microglobulin, CHLORIDE ION, Major histocompatibility complex class I-related gene protein, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2022-04-06
Release date:2022-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells.
J.Exp.Med., 219, 2022
5NR4
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BU of 5nr4 by Molmil
Crystal structure of Clasp2 TOG1 domain
Descriptor: CLIP-associating protein 2
Authors:Sharma, A, Olieric, N, Weinert, T, Olieric, V, Steinmetz, M.O.
Deposit date:2017-04-21
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:CLASP Suppresses Microtubule Catastrophes through a Single TOG Domain.
Dev. Cell, 46, 2018
5O27
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BU of 5o27 by Molmil
Crystal structure of murine neuroglobin mutant V140W under 30 bar xenon pressure
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-19
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017

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